data_294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 294 _Entry.Title ; Structural Studies of Cytochrome b5: Complete Sequence-Specific Resonance Assignments for the Trypsin-Solubilized Microsomal Ferrocytochrome b5 Obtained from Pig and Calf ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 R. Guiles . D. . 294 2 John Altman . . . 294 3 James Lipka . J. . 294 4 Irwin Kuntz . D. . 294 5 Lucy Waskell . . . 294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 547 294 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 6 . . 2008-10-16 . update BMRB 'Complete natural source information' 294 5 . . 2008-10-16 . update BMRB 'Sequence information corrected' 294 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 294 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 294 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 294 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 294 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 294 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Guiles, R.D., Altman, John, Lipka, James J., Kuntz, Irwin D., Waskell, Lucy, "Structural Studies of Cytochrome b5: Complete Sequence-Specific Resonance Assignments for the Trypsin-Solubilized Microsomal Ferrocytochrome b5 Obtained from Pig and Calf," Biochemistry 29, 1276-1289 (1990). ; _Citation.Title ; Structural Studies of Cytochrome b5: Complete Sequence-Specific Resonance Assignments for the Trypsin-Solubilized Microsomal Ferrocytochrome b5 Obtained from Pig and Calf ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1276 _Citation.Page_last 1289 _Citation.Year 1990 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Guiles . D. . 294 1 2 John Altman . . . 294 1 3 James Lipka . J. . 294 1 4 Irwin Kuntz . D. . 294 1 5 Lucy Waskell . . . 294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cytochrome_b5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cytochrome_b5 _Assembly.Entry_ID 294 _Assembly.ID 1 _Assembly.Name 'cytochrome b5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'cytochrome b5' 1 $cytochrome_b5 . . . . . . . . . 294 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cytochrome b5' system 294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_b5 _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_b5 _Entity.Entry_ID 294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cytochrome b5' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVKYYTLEQIEKHNNSKSTW LILHYKVYDLTKFLEEHPGG EEVLREQAGGDATEDFEDVG HSTDARELSKTFIIGELHPD DR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cytochrome b5' common 294 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 294 1 2 . VAL . 294 1 3 . LYS . 294 1 4 . TYR . 294 1 5 . TYR . 294 1 6 . THR . 294 1 7 . LEU . 294 1 8 . GLU . 294 1 9 . GLN . 294 1 10 . ILE . 294 1 11 . GLU . 294 1 12 . LYS . 294 1 13 . HIS . 294 1 14 . ASN . 294 1 15 . ASN . 294 1 16 . SER . 294 1 17 . LYS . 294 1 18 . SER . 294 1 19 . THR . 294 1 20 . TRP . 294 1 21 . LEU . 294 1 22 . ILE . 294 1 23 . LEU . 294 1 24 . HIS . 294 1 25 . TYR . 294 1 26 . LYS . 294 1 27 . VAL . 294 1 28 . TYR . 294 1 29 . ASP . 294 1 30 . LEU . 294 1 31 . THR . 294 1 32 . LYS . 294 1 33 . PHE . 294 1 34 . LEU . 294 1 35 . GLU . 294 1 36 . GLU . 294 1 37 . HIS . 294 1 38 . PRO . 294 1 39 . GLY . 294 1 40 . GLY . 294 1 41 . GLU . 294 1 42 . GLU . 294 1 43 . VAL . 294 1 44 . LEU . 294 1 45 . ARG . 294 1 46 . GLU . 294 1 47 . GLN . 294 1 48 . ALA . 294 1 49 . GLY . 294 1 50 . GLY . 294 1 51 . ASP . 294 1 52 . ALA . 294 1 53 . THR . 294 1 54 . GLU . 294 1 55 . ASP . 294 1 56 . PHE . 294 1 57 . GLU . 294 1 58 . ASP . 294 1 59 . VAL . 294 1 60 . GLY . 294 1 61 . HIS . 294 1 62 . SER . 294 1 63 . THR . 294 1 64 . ASP . 294 1 65 . ALA . 294 1 66 . ARG . 294 1 67 . GLU . 294 1 68 . LEU . 294 1 69 . SER . 294 1 70 . LYS . 294 1 71 . THR . 294 1 72 . PHE . 294 1 73 . ILE . 294 1 74 . ILE . 294 1 75 . GLY . 294 1 76 . GLU . 294 1 77 . LEU . 294 1 78 . HIS . 294 1 79 . PRO . 294 1 80 . ASP . 294 1 81 . ASP . 294 1 82 . ARG . 294 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 294 1 . VAL 2 2 294 1 . LYS 3 3 294 1 . TYR 4 4 294 1 . TYR 5 5 294 1 . THR 6 6 294 1 . LEU 7 7 294 1 . GLU 8 8 294 1 . GLN 9 9 294 1 . ILE 10 10 294 1 . GLU 11 11 294 1 . LYS 12 12 294 1 . HIS 13 13 294 1 . ASN 14 14 294 1 . ASN 15 15 294 1 . SER 16 16 294 1 . LYS 17 17 294 1 . SER 18 18 294 1 . THR 19 19 294 1 . TRP 20 20 294 1 . LEU 21 21 294 1 . ILE 22 22 294 1 . LEU 23 23 294 1 . HIS 24 24 294 1 . TYR 25 25 294 1 . LYS 26 26 294 1 . VAL 27 27 294 1 . TYR 28 28 294 1 . ASP 29 29 294 1 . LEU 30 30 294 1 . THR 31 31 294 1 . LYS 32 32 294 1 . PHE 33 33 294 1 . LEU 34 34 294 1 . GLU 35 35 294 1 . GLU 36 36 294 1 . HIS 37 37 294 1 . PRO 38 38 294 1 . GLY 39 39 294 1 . GLY 40 40 294 1 . GLU 41 41 294 1 . GLU 42 42 294 1 . VAL 43 43 294 1 . LEU 44 44 294 1 . ARG 45 45 294 1 . GLU 46 46 294 1 . GLN 47 47 294 1 . ALA 48 48 294 1 . GLY 49 49 294 1 . GLY 50 50 294 1 . ASP 51 51 294 1 . ALA 52 52 294 1 . THR 53 53 294 1 . GLU 54 54 294 1 . ASP 55 55 294 1 . PHE 56 56 294 1 . GLU 57 57 294 1 . ASP 58 58 294 1 . VAL 59 59 294 1 . GLY 60 60 294 1 . HIS 61 61 294 1 . SER 62 62 294 1 . THR 63 63 294 1 . ASP 64 64 294 1 . ALA 65 65 294 1 . ARG 66 66 294 1 . GLU 67 67 294 1 . LEU 68 68 294 1 . SER 69 69 294 1 . LYS 70 70 294 1 . THR 71 71 294 1 . PHE 72 72 294 1 . ILE 73 73 294 1 . ILE 74 74 294 1 . GLY 75 75 294 1 . GLU 76 76 294 1 . LEU 77 77 294 1 . HIS 78 78 294 1 . PRO 79 79 294 1 . ASP 80 80 294 1 . ASP 81 81 294 1 . ARG 82 82 294 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 294 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cytochrome_b5 . 9909 organism . 'Bos primigenius' cow . . Eukaryota Metazoa Bos primigenius generic . . . liver . . . . . . . microsomes . . . . . . . . 294 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cytochrome_b5 . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 294 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cytochrome b5' 'natural abundance' . . 1 $cytochrome_b5 . . 5 . . mM . . . . 294 1 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 294 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 294 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 294 1 temperature 313 . K 294 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 294 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 294 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 294 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 294 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 294 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . TSP . . . . . ppm 0 . . . . . . . . . . . . 294 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 294 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.01 . . 1 . . . . . . . . 294 1 2 . 1 1 1 1 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 294 1 3 . 1 1 1 1 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 294 1 4 . 1 1 1 1 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 294 1 5 . 1 1 2 2 VAL HA H 1 3.88 . . 1 . . . . . . . . 294 1 6 . 1 1 2 2 VAL HB H 1 1.62 . . 1 . . . . . . . . 294 1 7 . 1 1 2 2 VAL HG11 H 1 .38 . . 2 . . . . . . . . 294 1 8 . 1 1 2 2 VAL HG12 H 1 .38 . . 2 . . . . . . . . 294 1 9 . 1 1 2 2 VAL HG13 H 1 .38 . . 2 . . . . . . . . 294 1 10 . 1 1 2 2 VAL HG21 H 1 .66 . . 2 . . . . . . . . 294 1 11 . 1 1 2 2 VAL HG22 H 1 .66 . . 2 . . . . . . . . 294 1 12 . 1 1 2 2 VAL HG23 H 1 .66 . . 2 . . . . . . . . 294 1 13 . 1 1 3 3 LYS H H 1 8.04 . . 1 . . . . . . . . 294 1 14 . 1 1 3 3 LYS HA H 1 4.1 . . 1 . . . . . . . . 294 1 15 . 1 1 3 3 LYS HB2 H 1 1.63 . . 1 . . . . . . . . 294 1 16 . 1 1 3 3 LYS HB3 H 1 1.63 . . 1 . . . . . . . . 294 1 17 . 1 1 3 3 LYS HG2 H 1 1.41 . . 2 . . . . . . . . 294 1 18 . 1 1 3 3 LYS HG3 H 1 1.76 . . 2 . . . . . . . . 294 1 19 . 1 1 3 3 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 294 1 20 . 1 1 3 3 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 294 1 21 . 1 1 4 4 TYR H H 1 8.09 . . 1 . . . . . . . . 294 1 22 . 1 1 4 4 TYR HA H 1 5.72 . . 1 . . . . . . . . 294 1 23 . 1 1 4 4 TYR HB2 H 1 2.67 . . 2 . . . . . . . . 294 1 24 . 1 1 4 4 TYR HB3 H 1 2.84 . . 2 . . . . . . . . 294 1 25 . 1 1 4 4 TYR HD1 H 1 6.86 . . 1 . . . . . . . . 294 1 26 . 1 1 4 4 TYR HD2 H 1 6.86 . . 1 . . . . . . . . 294 1 27 . 1 1 4 4 TYR HE1 H 1 6.59 . . 1 . . . . . . . . 294 1 28 . 1 1 4 4 TYR HE2 H 1 6.59 . . 1 . . . . . . . . 294 1 29 . 1 1 5 5 TYR H H 1 8.74 . . 1 . . . . . . . . 294 1 30 . 1 1 5 5 TYR HA H 1 5.18 . . 1 . . . . . . . . 294 1 31 . 1 1 5 5 TYR HB2 H 1 2.54 . . 2 . . . . . . . . 294 1 32 . 1 1 5 5 TYR HB3 H 1 3.23 . . 2 . . . . . . . . 294 1 33 . 1 1 5 5 TYR HD1 H 1 6.96 . . 1 . . . . . . . . 294 1 34 . 1 1 5 5 TYR HD2 H 1 6.96 . . 1 . . . . . . . . 294 1 35 . 1 1 5 5 TYR HE1 H 1 6.59 . . 1 . . . . . . . . 294 1 36 . 1 1 5 5 TYR HE2 H 1 6.59 . . 1 . . . . . . . . 294 1 37 . 1 1 6 6 THR H H 1 9.19 . . 1 . . . . . . . . 294 1 38 . 1 1 6 6 THR HA H 1 4.66 . . 1 . . . . . . . . 294 1 39 . 1 1 6 6 THR HB H 1 4.9 . . 1 . . . . . . . . 294 1 40 . 1 1 6 6 THR HG21 H 1 1.22 . . 1 . . . . . . . . 294 1 41 . 1 1 6 6 THR HG22 H 1 1.22 . . 1 . . . . . . . . 294 1 42 . 1 1 6 6 THR HG23 H 1 1.22 . . 1 . . . . . . . . 294 1 43 . 1 1 7 7 LEU H H 1 9.57 . . 1 . . . . . . . . 294 1 44 . 1 1 7 7 LEU HA H 1 4.1 . . 1 . . . . . . . . 294 1 45 . 1 1 7 7 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 294 1 46 . 1 1 7 7 LEU HB3 H 1 1.76 . . 2 . . . . . . . . 294 1 47 . 1 1 7 7 LEU HG H 1 1.77 . . 1 . . . . . . . . 294 1 48 . 1 1 7 7 LEU HD11 H 1 1.04 . . 2 . . . . . . . . 294 1 49 . 1 1 7 7 LEU HD12 H 1 1.04 . . 2 . . . . . . . . 294 1 50 . 1 1 7 7 LEU HD13 H 1 1.04 . . 2 . . . . . . . . 294 1 51 . 1 1 7 7 LEU HD21 H 1 1.08 . . 2 . . . . . . . . 294 1 52 . 1 1 7 7 LEU HD22 H 1 1.08 . . 2 . . . . . . . . 294 1 53 . 1 1 7 7 LEU HD23 H 1 1.08 . . 2 . . . . . . . . 294 1 54 . 1 1 9 9 GLN H H 1 7.67 . . 1 . . . . . . . . 294 1 55 . 1 1 9 9 GLN HA H 1 4.12 . . 1 . . . . . . . . 294 1 56 . 1 1 9 9 GLN HG2 H 1 2.72 . . 2 . . . . . . . . 294 1 57 . 1 1 9 9 GLN HG3 H 1 2.47 . . 2 . . . . . . . . 294 1 58 . 1 1 10 10 ILE H H 1 8.53 . . 1 . . . . . . . . 294 1 59 . 1 1 10 10 ILE HA H 1 3.73 . . 1 . . . . . . . . 294 1 60 . 1 1 10 10 ILE HB H 1 2 . . 1 . . . . . . . . 294 1 61 . 1 1 10 10 ILE HG12 H 1 1.59 . . 1 . . . . . . . . 294 1 62 . 1 1 10 10 ILE HG13 H 1 1.59 . . 1 . . . . . . . . 294 1 63 . 1 1 10 10 ILE HG21 H 1 .94 . . 1 . . . . . . . . 294 1 64 . 1 1 10 10 ILE HG22 H 1 .94 . . 1 . . . . . . . . 294 1 65 . 1 1 10 10 ILE HG23 H 1 .94 . . 1 . . . . . . . . 294 1 66 . 1 1 10 10 ILE HD11 H 1 .87 . . 1 . . . . . . . . 294 1 67 . 1 1 10 10 ILE HD12 H 1 .87 . . 1 . . . . . . . . 294 1 68 . 1 1 10 10 ILE HD13 H 1 .87 . . 1 . . . . . . . . 294 1 69 . 1 1 11 11 GLU H H 1 8.3 . . 1 . . . . . . . . 294 1 70 . 1 1 11 11 GLU HA H 1 4.44 . . 1 . . . . . . . . 294 1 71 . 1 1 11 11 GLU HB2 H 1 2.22 . . 1 . . . . . . . . 294 1 72 . 1 1 11 11 GLU HB3 H 1 2.22 . . 1 . . . . . . . . 294 1 73 . 1 1 11 11 GLU HG2 H 1 2.66 . . 1 . . . . . . . . 294 1 74 . 1 1 11 11 GLU HG3 H 1 2.66 . . 1 . . . . . . . . 294 1 75 . 1 1 12 12 LYS H H 1 7.21 . . 1 . . . . . . . . 294 1 76 . 1 1 12 12 LYS HA H 1 4.04 . . 1 . . . . . . . . 294 1 77 . 1 1 12 12 LYS HB2 H 1 1.48 . . 2 . . . . . . . . 294 1 78 . 1 1 12 12 LYS HB3 H 1 1.61 . . 2 . . . . . . . . 294 1 79 . 1 1 12 12 LYS HG2 H 1 1.36 . . 1 . . . . . . . . 294 1 80 . 1 1 12 12 LYS HG3 H 1 1.36 . . 1 . . . . . . . . 294 1 81 . 1 1 12 12 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 294 1 82 . 1 1 12 12 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 294 1 83 . 1 1 12 12 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 294 1 84 . 1 1 12 12 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 294 1 85 . 1 1 13 13 HIS H H 1 7.87 . . 1 . . . . . . . . 294 1 86 . 1 1 13 13 HIS HA H 1 4.04 . . 1 . . . . . . . . 294 1 87 . 1 1 13 13 HIS HB2 H 1 2.07 . . 2 . . . . . . . . 294 1 88 . 1 1 13 13 HIS HB3 H 1 2.53 . . 2 . . . . . . . . 294 1 89 . 1 1 13 13 HIS HD1 H 1 6.96 . . 1 . . . . . . . . 294 1 90 . 1 1 13 13 HIS HD2 H 1 6.96 . . 1 . . . . . . . . 294 1 91 . 1 1 13 13 HIS HE1 H 1 7.93 . . 1 . . . . . . . . 294 1 92 . 1 1 13 13 HIS HE2 H 1 7.93 . . 1 . . . . . . . . 294 1 93 . 1 1 14 14 ASN H H 1 7.34 . . 1 . . . . . . . . 294 1 94 . 1 1 14 14 ASN HA H 1 4.83 . . 1 . . . . . . . . 294 1 95 . 1 1 14 14 ASN HB2 H 1 2.37 . . 2 . . . . . . . . 294 1 96 . 1 1 14 14 ASN HB3 H 1 3.04 . . 2 . . . . . . . . 294 1 97 . 1 1 15 15 ASN H H 1 8.03 . . 1 . . . . . . . . 294 1 98 . 1 1 15 15 ASN HA H 1 4.96 . . 1 . . . . . . . . 294 1 99 . 1 1 15 15 ASN HB2 H 1 2.72 . . 2 . . . . . . . . 294 1 100 . 1 1 15 15 ASN HB3 H 1 3.09 . . 2 . . . . . . . . 294 1 101 . 1 1 16 16 SER H H 1 7.36 . . 1 . . . . . . . . 294 1 102 . 1 1 16 16 SER HA H 1 4.63 . . 1 . . . . . . . . 294 1 103 . 1 1 16 16 SER HB2 H 1 4.19 . . 1 . . . . . . . . 294 1 104 . 1 1 16 16 SER HB3 H 1 4.19 . . 1 . . . . . . . . 294 1 105 . 1 1 17 17 LYS H H 1 7.83 . . 1 . . . . . . . . 294 1 106 . 1 1 17 17 LYS HA H 1 4.17 . . 1 . . . . . . . . 294 1 107 . 1 1 17 17 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 294 1 108 . 1 1 17 17 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 294 1 109 . 1 1 17 17 LYS HG2 H 1 1.33 . . 2 . . . . . . . . 294 1 110 . 1 1 17 17 LYS HG3 H 1 1.41 . . 2 . . . . . . . . 294 1 111 . 1 1 17 17 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 294 1 112 . 1 1 17 17 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 294 1 113 . 1 1 17 17 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 294 1 114 . 1 1 17 17 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 294 1 115 . 1 1 18 18 SER H H 1 7.2 . . 1 . . . . . . . . 294 1 116 . 1 1 18 18 SER HA H 1 4.87 . . 1 . . . . . . . . 294 1 117 . 1 1 18 18 SER HB2 H 1 3.56 . . 2 . . . . . . . . 294 1 118 . 1 1 18 18 SER HB3 H 1 3.85 . . 2 . . . . . . . . 294 1 119 . 1 1 19 19 THR H H 1 8.88 . . 1 . . . . . . . . 294 1 120 . 1 1 19 19 THR HA H 1 4.48 . . 1 . . . . . . . . 294 1 121 . 1 1 19 19 THR HB H 1 3.6 . . 1 . . . . . . . . 294 1 122 . 1 1 19 19 THR HG21 H 1 .93 . . 1 . . . . . . . . 294 1 123 . 1 1 19 19 THR HG22 H 1 .93 . . 1 . . . . . . . . 294 1 124 . 1 1 19 19 THR HG23 H 1 .93 . . 1 . . . . . . . . 294 1 125 . 1 1 20 20 TRP H H 1 8.95 . . 1 . . . . . . . . 294 1 126 . 1 1 20 20 TRP HA H 1 6.52 . . 1 . . . . . . . . 294 1 127 . 1 1 20 20 TRP HB2 H 1 3.02 . . 2 . . . . . . . . 294 1 128 . 1 1 20 20 TRP HB3 H 1 3.23 . . 2 . . . . . . . . 294 1 129 . 1 1 20 20 TRP HD1 H 1 6.96 . . 1 . . . . . . . . 294 1 130 . 1 1 20 20 TRP HE1 H 1 8.77 . . 1 . . . . . . . . 294 1 131 . 1 1 20 20 TRP HE3 H 1 6.72 . . 1 . . . . . . . . 294 1 132 . 1 1 20 20 TRP HZ2 H 1 6.72 . . 1 . . . . . . . . 294 1 133 . 1 1 20 20 TRP HZ3 H 1 5.83 . . 1 . . . . . . . . 294 1 134 . 1 1 20 20 TRP HH2 H 1 6.41 . . 1 . . . . . . . . 294 1 135 . 1 1 21 21 LEU H H 1 8.99 . . 1 . . . . . . . . 294 1 136 . 1 1 21 21 LEU HA H 1 5.05 . . 1 . . . . . . . . 294 1 137 . 1 1 21 21 LEU HB2 H 1 2.24 . . 1 . . . . . . . . 294 1 138 . 1 1 21 21 LEU HB3 H 1 2.24 . . 1 . . . . . . . . 294 1 139 . 1 1 21 21 LEU HG H 1 1.85 . . 1 . . . . . . . . 294 1 140 . 1 1 21 21 LEU HD11 H 1 1.02 . . 2 . . . . . . . . 294 1 141 . 1 1 21 21 LEU HD12 H 1 1.02 . . 2 . . . . . . . . 294 1 142 . 1 1 21 21 LEU HD13 H 1 1.02 . . 2 . . . . . . . . 294 1 143 . 1 1 21 21 LEU HD21 H 1 1.06 . . 2 . . . . . . . . 294 1 144 . 1 1 21 21 LEU HD22 H 1 1.06 . . 2 . . . . . . . . 294 1 145 . 1 1 21 21 LEU HD23 H 1 1.06 . . 2 . . . . . . . . 294 1 146 . 1 1 22 22 ILE H H 1 8.64 . . 1 . . . . . . . . 294 1 147 . 1 1 22 22 ILE HA H 1 5.52 . . 1 . . . . . . . . 294 1 148 . 1 1 22 22 ILE HB H 1 1.72 . . 1 . . . . . . . . 294 1 149 . 1 1 22 22 ILE HG12 H 1 .9 . . 2 . . . . . . . . 294 1 150 . 1 1 22 22 ILE HG13 H 1 .95 . . 2 . . . . . . . . 294 1 151 . 1 1 22 22 ILE HG21 H 1 .92 . . 1 . . . . . . . . 294 1 152 . 1 1 22 22 ILE HG22 H 1 .92 . . 1 . . . . . . . . 294 1 153 . 1 1 22 22 ILE HG23 H 1 .92 . . 1 . . . . . . . . 294 1 154 . 1 1 23 23 LEU H H 1 8.86 . . 1 . . . . . . . . 294 1 155 . 1 1 23 23 LEU HA H 1 4.91 . . 1 . . . . . . . . 294 1 156 . 1 1 23 23 LEU HB2 H 1 1.91 . . 1 . . . . . . . . 294 1 157 . 1 1 23 23 LEU HB3 H 1 1.91 . . 1 . . . . . . . . 294 1 158 . 1 1 23 23 LEU HG H 1 1.11 . . 1 . . . . . . . . 294 1 159 . 1 1 23 23 LEU HD11 H 1 .45 . . 2 . . . . . . . . 294 1 160 . 1 1 23 23 LEU HD12 H 1 .45 . . 2 . . . . . . . . 294 1 161 . 1 1 23 23 LEU HD13 H 1 .45 . . 2 . . . . . . . . 294 1 162 . 1 1 23 23 LEU HD21 H 1 .64 . . 2 . . . . . . . . 294 1 163 . 1 1 23 23 LEU HD22 H 1 .64 . . 2 . . . . . . . . 294 1 164 . 1 1 23 23 LEU HD23 H 1 .64 . . 2 . . . . . . . . 294 1 165 . 1 1 24 24 HIS H H 1 9.46 . . 1 . . . . . . . . 294 1 166 . 1 1 24 24 HIS HA H 1 3.86 . . 1 . . . . . . . . 294 1 167 . 1 1 24 24 HIS HB2 H 1 3.21 . . 2 . . . . . . . . 294 1 168 . 1 1 24 24 HIS HB3 H 1 3.26 . . 2 . . . . . . . . 294 1 169 . 1 1 24 24 HIS HD1 H 1 7 . . 1 . . . . . . . . 294 1 170 . 1 1 24 24 HIS HD2 H 1 7 . . 1 . . . . . . . . 294 1 171 . 1 1 24 24 HIS HE1 H 1 8.33 . . 1 . . . . . . . . 294 1 172 . 1 1 24 24 HIS HE2 H 1 8.33 . . 1 . . . . . . . . 294 1 173 . 1 1 25 25 TYR H H 1 8.34 . . 1 . . . . . . . . 294 1 174 . 1 1 25 25 TYR HA H 1 3.89 . . 1 . . . . . . . . 294 1 175 . 1 1 25 25 TYR HB2 H 1 3.56 . . 2 . . . . . . . . 294 1 176 . 1 1 25 25 TYR HB3 H 1 2.66 . . 2 . . . . . . . . 294 1 177 . 1 1 25 25 TYR HD1 H 1 7.11 . . 1 . . . . . . . . 294 1 178 . 1 1 25 25 TYR HD2 H 1 7.11 . . 1 . . . . . . . . 294 1 179 . 1 1 25 25 TYR HE1 H 1 7.02 . . 1 . . . . . . . . 294 1 180 . 1 1 25 25 TYR HE2 H 1 7.02 . . 1 . . . . . . . . 294 1 181 . 1 1 26 26 LYS H H 1 8.44 . . 1 . . . . . . . . 294 1 182 . 1 1 26 26 LYS HA H 1 4.89 . . 1 . . . . . . . . 294 1 183 . 1 1 26 26 LYS HB2 H 1 2.37 . . 1 . . . . . . . . 294 1 184 . 1 1 26 26 LYS HB3 H 1 2.37 . . 1 . . . . . . . . 294 1 185 . 1 1 26 26 LYS HG2 H 1 1.54 . . 1 . . . . . . . . 294 1 186 . 1 1 26 26 LYS HG3 H 1 1.54 . . 1 . . . . . . . . 294 1 187 . 1 1 26 26 LYS HD2 H 1 1.76 . . 1 . . . . . . . . 294 1 188 . 1 1 26 26 LYS HD3 H 1 1.76 . . 1 . . . . . . . . 294 1 189 . 1 1 26 26 LYS HE2 H 1 3.07 . . 1 . . . . . . . . 294 1 190 . 1 1 26 26 LYS HE3 H 1 3.07 . . 1 . . . . . . . . 294 1 191 . 1 1 27 27 VAL H H 1 8.46 . . 1 . . . . . . . . 294 1 192 . 1 1 27 27 VAL HA H 1 4.47 . . 1 . . . . . . . . 294 1 193 . 1 1 27 27 VAL HB H 1 1.21 . . 1 . . . . . . . . 294 1 194 . 1 1 27 27 VAL HG11 H 1 .3 . . 2 . . . . . . . . 294 1 195 . 1 1 27 27 VAL HG12 H 1 .3 . . 2 . . . . . . . . 294 1 196 . 1 1 27 27 VAL HG13 H 1 .3 . . 2 . . . . . . . . 294 1 197 . 1 1 27 27 VAL HG21 H 1 .76 . . 2 . . . . . . . . 294 1 198 . 1 1 27 27 VAL HG22 H 1 .76 . . 2 . . . . . . . . 294 1 199 . 1 1 27 27 VAL HG23 H 1 .76 . . 2 . . . . . . . . 294 1 200 . 1 1 28 28 TYR H H 1 9.33 . . 1 . . . . . . . . 294 1 201 . 1 1 28 28 TYR HA H 1 4.8 . . 1 . . . . . . . . 294 1 202 . 1 1 28 28 TYR HB2 H 1 2.65 . . 2 . . . . . . . . 294 1 203 . 1 1 28 28 TYR HB3 H 1 2.92 . . 2 . . . . . . . . 294 1 204 . 1 1 28 28 TYR HD1 H 1 7.28 . . 1 . . . . . . . . 294 1 205 . 1 1 28 28 TYR HD2 H 1 7.28 . . 1 . . . . . . . . 294 1 206 . 1 1 28 28 TYR HE1 H 1 6.89 . . 1 . . . . . . . . 294 1 207 . 1 1 28 28 TYR HE2 H 1 6.89 . . 1 . . . . . . . . 294 1 208 . 1 1 29 29 ASP H H 1 8.37 . . 1 . . . . . . . . 294 1 209 . 1 1 29 29 ASP HA H 1 5.23 . . 1 . . . . . . . . 294 1 210 . 1 1 29 29 ASP HB2 H 1 1.96 . . 2 . . . . . . . . 294 1 211 . 1 1 29 29 ASP HB3 H 1 3.05 . . 2 . . . . . . . . 294 1 212 . 1 1 30 30 LEU H H 1 8.55 . . 1 . . . . . . . . 294 1 213 . 1 1 30 30 LEU HA H 1 4.3 . . 1 . . . . . . . . 294 1 214 . 1 1 30 30 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 294 1 215 . 1 1 30 30 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 294 1 216 . 1 1 30 30 LEU HG H 1 1.6 . . 1 . . . . . . . . 294 1 217 . 1 1 30 30 LEU HD11 H 1 .6 . . 2 . . . . . . . . 294 1 218 . 1 1 30 30 LEU HD12 H 1 .6 . . 2 . . . . . . . . 294 1 219 . 1 1 30 30 LEU HD13 H 1 .6 . . 2 . . . . . . . . 294 1 220 . 1 1 30 30 LEU HD21 H 1 .93 . . 2 . . . . . . . . 294 1 221 . 1 1 30 30 LEU HD22 H 1 .93 . . 2 . . . . . . . . 294 1 222 . 1 1 30 30 LEU HD23 H 1 .93 . . 2 . . . . . . . . 294 1 223 . 1 1 31 31 THR H H 1 8.66 . . 1 . . . . . . . . 294 1 224 . 1 1 31 31 THR HA H 1 3.53 . . 1 . . . . . . . . 294 1 225 . 1 1 31 31 THR HB H 1 4.24 . . 1 . . . . . . . . 294 1 226 . 1 1 31 31 THR HG21 H 1 1.25 . . 1 . . . . . . . . 294 1 227 . 1 1 31 31 THR HG22 H 1 1.25 . . 1 . . . . . . . . 294 1 228 . 1 1 31 31 THR HG23 H 1 1.25 . . 1 . . . . . . . . 294 1 229 . 1 1 32 32 LYS H H 1 8.65 . . 1 . . . . . . . . 294 1 230 . 1 1 32 32 LYS HA H 1 4.28 . . 1 . . . . . . . . 294 1 231 . 1 1 32 32 LYS HG2 H 1 1.73 . . 2 . . . . . . . . 294 1 232 . 1 1 32 32 LYS HG3 H 1 2.21 . . 2 . . . . . . . . 294 1 233 . 1 1 32 32 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 294 1 234 . 1 1 32 32 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 294 1 235 . 1 1 32 32 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 294 1 236 . 1 1 32 32 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 294 1 237 . 1 1 33 33 PHE H H 1 7.67 . . 1 . . . . . . . . 294 1 238 . 1 1 33 33 PHE HA H 1 4.43 . . 1 . . . . . . . . 294 1 239 . 1 1 33 33 PHE HB2 H 1 1.96 . . 2 . . . . . . . . 294 1 240 . 1 1 33 33 PHE HB3 H 1 2.45 . . 2 . . . . . . . . 294 1 241 . 1 1 33 33 PHE HD1 H 1 6.6 . . 1 . . . . . . . . 294 1 242 . 1 1 33 33 PHE HD2 H 1 6.6 . . 1 . . . . . . . . 294 1 243 . 1 1 33 33 PHE HE1 H 1 6.44 . . 1 . . . . . . . . 294 1 244 . 1 1 33 33 PHE HE2 H 1 6.44 . . 1 . . . . . . . . 294 1 245 . 1 1 33 33 PHE HZ H 1 7.19 . . 1 . . . . . . . . 294 1 246 . 1 1 34 34 LEU H H 1 7.03 . . 1 . . . . . . . . 294 1 247 . 1 1 34 34 LEU HA H 1 2.95 . . 1 . . . . . . . . 294 1 248 . 1 1 34 34 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 294 1 249 . 1 1 34 34 LEU HB3 H 1 1.55 . . 1 . . . . . . . . 294 1 250 . 1 1 34 34 LEU HG H 1 1.74 . . 1 . . . . . . . . 294 1 251 . 1 1 34 34 LEU HD11 H 1 .49 . . 2 . . . . . . . . 294 1 252 . 1 1 34 34 LEU HD12 H 1 .49 . . 2 . . . . . . . . 294 1 253 . 1 1 34 34 LEU HD13 H 1 .49 . . 2 . . . . . . . . 294 1 254 . 1 1 34 34 LEU HD21 H 1 .75 . . 2 . . . . . . . . 294 1 255 . 1 1 34 34 LEU HD22 H 1 .75 . . 2 . . . . . . . . 294 1 256 . 1 1 34 34 LEU HD23 H 1 .75 . . 2 . . . . . . . . 294 1 257 . 1 1 35 35 GLU H H 1 7.54 . . 1 . . . . . . . . 294 1 258 . 1 1 35 35 GLU HA H 1 3.78 . . 1 . . . . . . . . 294 1 259 . 1 1 35 35 GLU HB2 H 1 1.72 . . 2 . . . . . . . . 294 1 260 . 1 1 35 35 GLU HB3 H 1 1.88 . . 2 . . . . . . . . 294 1 261 . 1 1 35 35 GLU HG2 H 1 2.07 . . 1 . . . . . . . . 294 1 262 . 1 1 35 35 GLU HG3 H 1 2.07 . . 1 . . . . . . . . 294 1 263 . 1 1 36 36 GLU H H 1 7 . . 1 . . . . . . . . 294 1 264 . 1 1 36 36 GLU HA H 1 3.99 . . 1 . . . . . . . . 294 1 265 . 1 1 36 36 GLU HB2 H 1 1.58 . . 2 . . . . . . . . 294 1 266 . 1 1 36 36 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 294 1 267 . 1 1 36 36 GLU HG2 H 1 1.83 . . 1 . . . . . . . . 294 1 268 . 1 1 36 36 GLU HG3 H 1 1.83 . . 1 . . . . . . . . 294 1 269 . 1 1 37 37 HIS H H 1 6.01 . . 1 . . . . . . . . 294 1 270 . 1 1 37 37 HIS HA H 1 2.46 . . 1 . . . . . . . . 294 1 271 . 1 1 37 37 HIS HB2 H 1 .48 . . 2 . . . . . . . . 294 1 272 . 1 1 37 37 HIS HB3 H 1 .81 . . 2 . . . . . . . . 294 1 273 . 1 1 38 38 PRO HA H 1 3.56 . . 1 . . . . . . . . 294 1 274 . 1 1 38 38 PRO HB2 H 1 1.62 . . 1 . . . . . . . . 294 1 275 . 1 1 38 38 PRO HB3 H 1 1.62 . . 1 . . . . . . . . 294 1 276 . 1 1 38 38 PRO HG2 H 1 1.66 . . 1 . . . . . . . . 294 1 277 . 1 1 38 38 PRO HG3 H 1 1.66 . . 1 . . . . . . . . 294 1 278 . 1 1 38 38 PRO HD2 H 1 1.25 . . 2 . . . . . . . . 294 1 279 . 1 1 38 38 PRO HD3 H 1 3.71 . . 2 . . . . . . . . 294 1 280 . 1 1 39 39 GLY H H 1 6.13 . . 1 . . . . . . . . 294 1 281 . 1 1 39 39 GLY HA2 H 1 3.34 . . 2 . . . . . . . . 294 1 282 . 1 1 40 40 GLY H H 1 6.13 . . 1 . . . . . . . . 294 1 283 . 1 1 40 40 GLY HA2 H 1 3.34 . . 2 . . . . . . . . 294 1 284 . 1 1 41 41 GLU H H 1 8.09 . . 1 . . . . . . . . 294 1 285 . 1 1 41 41 GLU HA H 1 3.56 . . 1 . . . . . . . . 294 1 286 . 1 1 41 41 GLU HB2 H 1 1.63 . . 2 . . . . . . . . 294 1 287 . 1 1 41 41 GLU HB3 H 1 1.72 . . 2 . . . . . . . . 294 1 288 . 1 1 41 41 GLU HG2 H 1 1.88 . . 1 . . . . . . . . 294 1 289 . 1 1 41 41 GLU HG3 H 1 1.88 . . 1 . . . . . . . . 294 1 290 . 1 1 42 42 GLU H H 1 8.25 . . 1 . . . . . . . . 294 1 291 . 1 1 42 42 GLU HA H 1 3.67 . . 1 . . . . . . . . 294 1 292 . 1 1 42 42 GLU HB2 H 1 1.93 . . 1 . . . . . . . . 294 1 293 . 1 1 42 42 GLU HB3 H 1 1.93 . . 1 . . . . . . . . 294 1 294 . 1 1 42 42 GLU HG2 H 1 2.21 . . 1 . . . . . . . . 294 1 295 . 1 1 42 42 GLU HG3 H 1 2.21 . . 1 . . . . . . . . 294 1 296 . 1 1 43 43 VAL H H 1 8.15 . . 1 . . . . . . . . 294 1 297 . 1 1 43 43 VAL HA H 1 4.07 . . 1 . . . . . . . . 294 1 298 . 1 1 43 43 VAL HB H 1 2.55 . . 1 . . . . . . . . 294 1 299 . 1 1 43 43 VAL HG11 H 1 .77 . . 2 . . . . . . . . 294 1 300 . 1 1 43 43 VAL HG12 H 1 .77 . . 2 . . . . . . . . 294 1 301 . 1 1 43 43 VAL HG13 H 1 .77 . . 2 . . . . . . . . 294 1 302 . 1 1 43 43 VAL HG21 H 1 1 . . 2 . . . . . . . . 294 1 303 . 1 1 43 43 VAL HG22 H 1 1 . . 2 . . . . . . . . 294 1 304 . 1 1 43 43 VAL HG23 H 1 1 . . 2 . . . . . . . . 294 1 305 . 1 1 44 44 LEU H H 1 5.96 . . 1 . . . . . . . . 294 1 306 . 1 1 44 44 LEU HA H 1 3.86 . . 1 . . . . . . . . 294 1 307 . 1 1 44 44 LEU HB2 H 1 .56 . . 2 . . . . . . . . 294 1 308 . 1 1 44 44 LEU HB3 H 1 1.44 . . 2 . . . . . . . . 294 1 309 . 1 1 44 44 LEU HG H 1 .19 . . 1 . . . . . . . . 294 1 310 . 1 1 44 44 LEU HD11 H 1 .76 . . 2 . . . . . . . . 294 1 311 . 1 1 44 44 LEU HD12 H 1 .76 . . 2 . . . . . . . . 294 1 312 . 1 1 44 44 LEU HD13 H 1 .76 . . 2 . . . . . . . . 294 1 313 . 1 1 44 44 LEU HD21 H 1 .7 . . 2 . . . . . . . . 294 1 314 . 1 1 44 44 LEU HD22 H 1 .7 . . 2 . . . . . . . . 294 1 315 . 1 1 44 44 LEU HD23 H 1 .7 . . 2 . . . . . . . . 294 1 316 . 1 1 45 45 ARG H H 1 8 . . 1 . . . . . . . . 294 1 317 . 1 1 45 45 ARG HA H 1 3.75 . . 1 . . . . . . . . 294 1 318 . 1 1 45 45 ARG HB2 H 1 1.72 . . 1 . . . . . . . . 294 1 319 . 1 1 45 45 ARG HB3 H 1 1.72 . . 1 . . . . . . . . 294 1 320 . 1 1 45 45 ARG HG2 H 1 1.49 . . 1 . . . . . . . . 294 1 321 . 1 1 45 45 ARG HG3 H 1 1.49 . . 1 . . . . . . . . 294 1 322 . 1 1 45 45 ARG HD2 H 1 3.03 . . 1 . . . . . . . . 294 1 323 . 1 1 45 45 ARG HD3 H 1 3.03 . . 1 . . . . . . . . 294 1 324 . 1 1 46 46 GLU H H 1 8.04 . . 1 . . . . . . . . 294 1 325 . 1 1 46 46 GLU HA H 1 4.1 . . 1 . . . . . . . . 294 1 326 . 1 1 46 46 GLU HB2 H 1 2.14 . . 1 . . . . . . . . 294 1 327 . 1 1 46 46 GLU HB3 H 1 2.14 . . 1 . . . . . . . . 294 1 328 . 1 1 46 46 GLU HG2 H 1 2.49 . . 1 . . . . . . . . 294 1 329 . 1 1 46 46 GLU HG3 H 1 2.49 . . 1 . . . . . . . . 294 1 330 . 1 1 47 47 GLN H H 1 7.09 . . 1 . . . . . . . . 294 1 331 . 1 1 47 47 GLN HA H 1 4.58 . . 1 . . . . . . . . 294 1 332 . 1 1 47 47 GLN HB2 H 1 1.94 . . 1 . . . . . . . . 294 1 333 . 1 1 47 47 GLN HB3 H 1 1.94 . . 1 . . . . . . . . 294 1 334 . 1 1 47 47 GLN HG2 H 1 2.71 . . 1 . . . . . . . . 294 1 335 . 1 1 47 47 GLN HG3 H 1 2.71 . . 1 . . . . . . . . 294 1 336 . 1 1 48 48 ALA H H 1 7.22 . . 1 . . . . . . . . 294 1 337 . 1 1 48 48 ALA HA H 1 4.18 . . 1 . . . . . . . . 294 1 338 . 1 1 48 48 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 294 1 339 . 1 1 48 48 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 294 1 340 . 1 1 48 48 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 294 1 341 . 1 1 49 49 GLY H H 1 9.71 . . 1 . . . . . . . . 294 1 342 . 1 1 49 49 GLY HA2 H 1 3.8 . . 2 . . . . . . . . 294 1 343 . 1 1 49 49 GLY HA3 H 1 4.14 . . 2 . . . . . . . . 294 1 344 . 1 1 50 50 GLY H H 1 7.78 . . 1 . . . . . . . . 294 1 345 . 1 1 50 50 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 294 1 346 . 1 1 50 50 GLY HA3 H 1 4.53 . . 2 . . . . . . . . 294 1 347 . 1 1 51 51 ASP H H 1 8.44 . . 1 . . . . . . . . 294 1 348 . 1 1 51 51 ASP HA H 1 5.21 . . 1 . . . . . . . . 294 1 349 . 1 1 51 51 ASP HB2 H 1 3.05 . . 1 . . . . . . . . 294 1 350 . 1 1 51 51 ASP HB3 H 1 3.05 . . 1 . . . . . . . . 294 1 351 . 1 1 52 52 ALA H H 1 9.03 . . 1 . . . . . . . . 294 1 352 . 1 1 52 52 ALA HA H 1 5.21 . . 1 . . . . . . . . 294 1 353 . 1 1 52 52 ALA HB1 H 1 1.78 . . 1 . . . . . . . . 294 1 354 . 1 1 52 52 ALA HB2 H 1 1.78 . . 1 . . . . . . . . 294 1 355 . 1 1 52 52 ALA HB3 H 1 1.78 . . 1 . . . . . . . . 294 1 356 . 1 1 53 53 THR H H 1 8.6 . . 1 . . . . . . . . 294 1 357 . 1 1 53 53 THR HA H 1 3.32 . . 1 . . . . . . . . 294 1 358 . 1 1 53 53 THR HB H 1 4.01 . . 1 . . . . . . . . 294 1 359 . 1 1 53 53 THR HG21 H 1 .4 . . 1 . . . . . . . . 294 1 360 . 1 1 53 53 THR HG22 H 1 .4 . . 1 . . . . . . . . 294 1 361 . 1 1 53 53 THR HG23 H 1 .4 . . 1 . . . . . . . . 294 1 362 . 1 1 54 54 GLU H H 1 8.66 . . 1 . . . . . . . . 294 1 363 . 1 1 54 54 GLU HA H 1 3.85 . . 1 . . . . . . . . 294 1 364 . 1 1 54 54 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 294 1 365 . 1 1 54 54 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 294 1 366 . 1 1 54 54 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 294 1 367 . 1 1 54 54 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 294 1 368 . 1 1 55 55 ASP H H 1 7.92 . . 1 . . . . . . . . 294 1 369 . 1 1 55 55 ASP HA H 1 4.48 . . 1 . . . . . . . . 294 1 370 . 1 1 55 55 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 294 1 371 . 1 1 55 55 ASP HB3 H 1 3.22 . . 2 . . . . . . . . 294 1 372 . 1 1 56 56 PHE H H 1 8.66 . . 1 . . . . . . . . 294 1 373 . 1 1 56 56 PHE HA H 1 3.85 . . 1 . . . . . . . . 294 1 374 . 1 1 56 56 PHE HB2 H 1 1.98 . . 2 . . . . . . . . 294 1 375 . 1 1 56 56 PHE HB3 H 1 2.91 . . 2 . . . . . . . . 294 1 376 . 1 1 56 56 PHE HD1 H 1 7.01 . . 1 . . . . . . . . 294 1 377 . 1 1 56 56 PHE HD2 H 1 7.01 . . 1 . . . . . . . . 294 1 378 . 1 1 56 56 PHE HE1 H 1 7.3 . . 1 . . . . . . . . 294 1 379 . 1 1 56 56 PHE HE2 H 1 7.3 . . 1 . . . . . . . . 294 1 380 . 1 1 56 56 PHE HZ H 1 7.36 . . 1 . . . . . . . . 294 1 381 . 1 1 57 57 GLU H H 1 8.22 . . 1 . . . . . . . . 294 1 382 . 1 1 57 57 GLU HA H 1 3.79 . . 1 . . . . . . . . 294 1 383 . 1 1 57 57 GLU HB2 H 1 1.85 . . 1 . . . . . . . . 294 1 384 . 1 1 57 57 GLU HB3 H 1 1.85 . . 1 . . . . . . . . 294 1 385 . 1 1 57 57 GLU HG2 H 1 2 . . 1 . . . . . . . . 294 1 386 . 1 1 57 57 GLU HG3 H 1 2 . . 1 . . . . . . . . 294 1 387 . 1 1 58 58 ASP H H 1 8.07 . . 1 . . . . . . . . 294 1 388 . 1 1 58 58 ASP HA H 1 4.21 . . 1 . . . . . . . . 294 1 389 . 1 1 58 58 ASP HB2 H 1 2.55 . . 2 . . . . . . . . 294 1 390 . 1 1 58 58 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 294 1 391 . 1 1 59 59 VAL H H 1 6.65 . . 1 . . . . . . . . 294 1 392 . 1 1 59 59 VAL HA H 1 3.22 . . 1 . . . . . . . . 294 1 393 . 1 1 59 59 VAL HB H 1 .23 . . 1 . . . . . . . . 294 1 394 . 1 1 59 59 VAL HG11 H 1 1.23 . . 2 . . . . . . . . 294 1 395 . 1 1 59 59 VAL HG12 H 1 1.23 . . 2 . . . . . . . . 294 1 396 . 1 1 59 59 VAL HG13 H 1 1.23 . . 2 . . . . . . . . 294 1 397 . 1 1 59 59 VAL HG21 H 1 .79 . . 2 . . . . . . . . 294 1 398 . 1 1 59 59 VAL HG22 H 1 .79 . . 2 . . . . . . . . 294 1 399 . 1 1 59 59 VAL HG23 H 1 .79 . . 2 . . . . . . . . 294 1 400 . 1 1 60 60 GLY H H 1 6.5 . . 1 . . . . . . . . 294 1 401 . 1 1 60 60 GLY HA2 H 1 3.17 . . 2 . . . . . . . . 294 1 402 . 1 1 60 60 GLY HA3 H 1 3.38 . . 2 . . . . . . . . 294 1 403 . 1 1 61 61 HIS H H 1 6.15 . . 1 . . . . . . . . 294 1 404 . 1 1 61 61 HIS HA H 1 2.57 . . 1 . . . . . . . . 294 1 405 . 1 1 61 61 HIS HB2 H 1 .38 . . 2 . . . . . . . . 294 1 406 . 1 1 61 61 HIS HB3 H 1 1.1 . . 2 . . . . . . . . 294 1 407 . 1 1 61 61 HIS HD1 H 1 .35 . . 1 . . . . . . . . 294 1 408 . 1 1 61 61 HIS HD2 H 1 .35 . . 1 . . . . . . . . 294 1 409 . 1 1 61 61 HIS HE1 H 1 .78 . . 1 . . . . . . . . 294 1 410 . 1 1 61 61 HIS HE2 H 1 .78 . . 1 . . . . . . . . 294 1 411 . 1 1 62 62 SER H H 1 9.72 . . 1 . . . . . . . . 294 1 412 . 1 1 62 62 SER HA H 1 4.06 . . 1 . . . . . . . . 294 1 413 . 1 1 62 62 SER HB2 H 1 4.28 . . 1 . . . . . . . . 294 1 414 . 1 1 62 62 SER HB3 H 1 4.28 . . 1 . . . . . . . . 294 1 415 . 1 1 63 63 THR H H 1 8.66 . . 1 . . . . . . . . 294 1 416 . 1 1 63 63 THR HA H 1 3.79 . . 1 . . . . . . . . 294 1 417 . 1 1 63 63 THR HB H 1 4.18 . . 1 . . . . . . . . 294 1 418 . 1 1 63 63 THR HG21 H 1 1.26 . . 1 . . . . . . . . 294 1 419 . 1 1 63 63 THR HG22 H 1 1.26 . . 1 . . . . . . . . 294 1 420 . 1 1 63 63 THR HG23 H 1 1.26 . . 1 . . . . . . . . 294 1 421 . 1 1 64 64 ASP H H 1 7.96 . . 1 . . . . . . . . 294 1 422 . 1 1 64 64 ASP HA H 1 4.46 . . 1 . . . . . . . . 294 1 423 . 1 1 64 64 ASP HB2 H 1 2.87 . . 1 . . . . . . . . 294 1 424 . 1 1 64 64 ASP HB3 H 1 2.87 . . 1 . . . . . . . . 294 1 425 . 1 1 65 65 ALA H H 1 8.53 . . 1 . . . . . . . . 294 1 426 . 1 1 65 65 ALA HA H 1 4.66 . . 1 . . . . . . . . 294 1 427 . 1 1 65 65 ALA HB1 H 1 1.21 . . 1 . . . . . . . . 294 1 428 . 1 1 65 65 ALA HB2 H 1 1.21 . . 1 . . . . . . . . 294 1 429 . 1 1 65 65 ALA HB3 H 1 1.21 . . 1 . . . . . . . . 294 1 430 . 1 1 66 66 ARG H H 1 8.09 . . 1 . . . . . . . . 294 1 431 . 1 1 66 66 ARG HA H 1 3.64 . . 1 . . . . . . . . 294 1 432 . 1 1 66 66 ARG HG2 H 1 1.36 . . 2 . . . . . . . . 294 1 433 . 1 1 66 66 ARG HG3 H 1 1.69 . . 2 . . . . . . . . 294 1 434 . 1 1 67 67 GLU H H 1 8.65 . . 1 . . . . . . . . 294 1 435 . 1 1 67 67 GLU HA H 1 4.14 . . 1 . . . . . . . . 294 1 436 . 1 1 67 67 GLU HB2 H 1 1.74 . . 2 . . . . . . . . 294 1 437 . 1 1 67 67 GLU HB3 H 1 2.2 . . 2 . . . . . . . . 294 1 438 . 1 1 67 67 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 294 1 439 . 1 1 67 67 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 294 1 440 . 1 1 68 68 LEU H H 1 8.33 . . 1 . . . . . . . . 294 1 441 . 1 1 68 68 LEU HA H 1 4.34 . . 1 . . . . . . . . 294 1 442 . 1 1 68 68 LEU HB2 H 1 2.1 . . 2 . . . . . . . . 294 1 443 . 1 1 68 68 LEU HB3 H 1 2.64 . . 2 . . . . . . . . 294 1 444 . 1 1 68 68 LEU HG H 1 1.87 . . 1 . . . . . . . . 294 1 445 . 1 1 68 68 LEU HD11 H 1 .81 . . 2 . . . . . . . . 294 1 446 . 1 1 68 68 LEU HD12 H 1 .81 . . 2 . . . . . . . . 294 1 447 . 1 1 68 68 LEU HD13 H 1 .81 . . 2 . . . . . . . . 294 1 448 . 1 1 68 68 LEU HD21 H 1 1.19 . . 2 . . . . . . . . 294 1 449 . 1 1 68 68 LEU HD22 H 1 1.19 . . 2 . . . . . . . . 294 1 450 . 1 1 68 68 LEU HD23 H 1 1.19 . . 2 . . . . . . . . 294 1 451 . 1 1 69 69 SER H H 1 8.69 . . 1 . . . . . . . . 294 1 452 . 1 1 69 69 SER HA H 1 4.5 . . 1 . . . . . . . . 294 1 453 . 1 1 69 69 SER HB2 H 1 4.12 . . 2 . . . . . . . . 294 1 454 . 1 1 69 69 SER HB3 H 1 3.35 . . 2 . . . . . . . . 294 1 455 . 1 1 70 70 LYS H H 1 7.27 . . 1 . . . . . . . . 294 1 456 . 1 1 70 70 LYS HA H 1 4.19 . . 1 . . . . . . . . 294 1 457 . 1 1 70 70 LYS HG2 H 1 1.74 . . 2 . . . . . . . . 294 1 458 . 1 1 70 70 LYS HG3 H 1 1.84 . . 2 . . . . . . . . 294 1 459 . 1 1 70 70 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 294 1 460 . 1 1 70 70 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 294 1 461 . 1 1 70 70 LYS HE2 H 1 3.18 . . 1 . . . . . . . . 294 1 462 . 1 1 70 70 LYS HE3 H 1 3.18 . . 1 . . . . . . . . 294 1 463 . 1 1 71 71 THR H H 1 7.86 . . 1 . . . . . . . . 294 1 464 . 1 1 71 71 THR HA H 1 4.03 . . 1 . . . . . . . . 294 1 465 . 1 1 71 71 THR HB H 1 3.78 . . 1 . . . . . . . . 294 1 466 . 1 1 71 71 THR HG21 H 1 1.09 . . 1 . . . . . . . . 294 1 467 . 1 1 71 71 THR HG22 H 1 1.09 . . 1 . . . . . . . . 294 1 468 . 1 1 71 71 THR HG23 H 1 1.09 . . 1 . . . . . . . . 294 1 469 . 1 1 72 72 PHE H H 1 7.58 . . 1 . . . . . . . . 294 1 470 . 1 1 72 72 PHE HA H 1 5 . . 1 . . . . . . . . 294 1 471 . 1 1 72 72 PHE HB2 H 1 3 . . 1 . . . . . . . . 294 1 472 . 1 1 72 72 PHE HB3 H 1 3 . . 1 . . . . . . . . 294 1 473 . 1 1 72 72 PHE HD1 H 1 7.3 . . 1 . . . . . . . . 294 1 474 . 1 1 72 72 PHE HD2 H 1 7.3 . . 1 . . . . . . . . 294 1 475 . 1 1 72 72 PHE HE1 H 1 6.88 . . 1 . . . . . . . . 294 1 476 . 1 1 72 72 PHE HE2 H 1 6.88 . . 1 . . . . . . . . 294 1 477 . 1 1 72 72 PHE HZ H 1 7.03 . . 1 . . . . . . . . 294 1 478 . 1 1 73 73 ILE H H 1 6.99 . . 1 . . . . . . . . 294 1 479 . 1 1 73 73 ILE HA H 1 3.72 . . 1 . . . . . . . . 294 1 480 . 1 1 73 73 ILE HB H 1 1.59 . . 1 . . . . . . . . 294 1 481 . 1 1 73 73 ILE HG12 H 1 -.02 . . 1 . . . . . . . . 294 1 482 . 1 1 73 73 ILE HG13 H 1 -.02 . . 1 . . . . . . . . 294 1 483 . 1 1 73 73 ILE HG21 H 1 .87 . . 1 . . . . . . . . 294 1 484 . 1 1 73 73 ILE HG22 H 1 .87 . . 1 . . . . . . . . 294 1 485 . 1 1 73 73 ILE HG23 H 1 .87 . . 1 . . . . . . . . 294 1 486 . 1 1 73 73 ILE HD11 H 1 .95 . . 1 . . . . . . . . 294 1 487 . 1 1 73 73 ILE HD12 H 1 .95 . . 1 . . . . . . . . 294 1 488 . 1 1 73 73 ILE HD13 H 1 .95 . . 1 . . . . . . . . 294 1 489 . 1 1 74 74 ILE H H 1 8.84 . . 1 . . . . . . . . 294 1 490 . 1 1 74 74 ILE HA H 1 4.66 . . 1 . . . . . . . . 294 1 491 . 1 1 74 74 ILE HB H 1 1.88 . . 1 . . . . . . . . 294 1 492 . 1 1 74 74 ILE HG12 H 1 .12 . . 1 . . . . . . . . 294 1 493 . 1 1 74 74 ILE HG13 H 1 .12 . . 1 . . . . . . . . 294 1 494 . 1 1 74 74 ILE HD11 H 1 -1.01 . . 1 . . . . . . . . 294 1 495 . 1 1 74 74 ILE HD12 H 1 -1.01 . . 1 . . . . . . . . 294 1 496 . 1 1 74 74 ILE HD13 H 1 -1.01 . . 1 . . . . . . . . 294 1 497 . 1 1 75 75 GLY H H 1 7.46 . . 1 . . . . . . . . 294 1 498 . 1 1 75 75 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 294 1 499 . 1 1 75 75 GLY HA3 H 1 4.47 . . 2 . . . . . . . . 294 1 500 . 1 1 76 76 GLU H H 1 9.04 . . 1 . . . . . . . . 294 1 501 . 1 1 76 76 GLU HA H 1 5.3 . . 1 . . . . . . . . 294 1 502 . 1 1 76 76 GLU HB2 H 1 1.74 . . 2 . . . . . . . . 294 1 503 . 1 1 76 76 GLU HB3 H 1 1.88 . . 2 . . . . . . . . 294 1 504 . 1 1 76 76 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 294 1 505 . 1 1 76 76 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 294 1 506 . 1 1 77 77 LEU H H 1 8.97 . . 1 . . . . . . . . 294 1 507 . 1 1 77 77 LEU HA H 1 4.73 . . 1 . . . . . . . . 294 1 508 . 1 1 77 77 LEU HB2 H 1 1.85 . . 1 . . . . . . . . 294 1 509 . 1 1 77 77 LEU HB3 H 1 1.85 . . 1 . . . . . . . . 294 1 510 . 1 1 77 77 LEU HG H 1 2.22 . . 1 . . . . . . . . 294 1 511 . 1 1 77 77 LEU HD11 H 1 .97 . . 2 . . . . . . . . 294 1 512 . 1 1 77 77 LEU HD12 H 1 .97 . . 2 . . . . . . . . 294 1 513 . 1 1 77 77 LEU HD13 H 1 .97 . . 2 . . . . . . . . 294 1 514 . 1 1 77 77 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 294 1 515 . 1 1 77 77 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 294 1 516 . 1 1 77 77 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 294 1 517 . 1 1 78 78 HIS H H 1 9.09 . . 1 . . . . . . . . 294 1 518 . 1 1 78 78 HIS HA H 1 3.79 . . 1 . . . . . . . . 294 1 519 . 1 1 78 78 HIS HB2 H 1 2.6 . . 2 . . . . . . . . 294 1 520 . 1 1 78 78 HIS HB3 H 1 2.98 . . 2 . . . . . . . . 294 1 521 . 1 1 78 78 HIS HD1 H 1 6.97 . . 1 . . . . . . . . 294 1 522 . 1 1 78 78 HIS HD2 H 1 6.97 . . 1 . . . . . . . . 294 1 523 . 1 1 78 78 HIS HE1 H 1 7.58 . . 1 . . . . . . . . 294 1 524 . 1 1 78 78 HIS HE2 H 1 7.58 . . 1 . . . . . . . . 294 1 525 . 1 1 79 79 PRO HA H 1 3.67 . . 1 . . . . . . . . 294 1 526 . 1 1 79 79 PRO HB2 H 1 2.12 . . 1 . . . . . . . . 294 1 527 . 1 1 79 79 PRO HB3 H 1 2.12 . . 1 . . . . . . . . 294 1 528 . 1 1 79 79 PRO HG2 H 1 1.5 . . 1 . . . . . . . . 294 1 529 . 1 1 79 79 PRO HG3 H 1 1.5 . . 1 . . . . . . . . 294 1 530 . 1 1 79 79 PRO HD2 H 1 2.18 . . 2 . . . . . . . . 294 1 531 . 1 1 79 79 PRO HD3 H 1 2.72 . . 2 . . . . . . . . 294 1 532 . 1 1 80 80 ASP H H 1 11.03 . . 1 . . . . . . . . 294 1 533 . 1 1 80 80 ASP HA H 1 4.48 . . 1 . . . . . . . . 294 1 534 . 1 1 80 80 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 294 1 535 . 1 1 80 80 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 294 1 536 . 1 1 81 81 ASP H H 1 8.23 . . 1 . . . . . . . . 294 1 537 . 1 1 81 81 ASP HA H 1 5 . . 1 . . . . . . . . 294 1 538 . 1 1 81 81 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 294 1 539 . 1 1 81 81 ASP HB3 H 1 3.14 . . 2 . . . . . . . . 294 1 540 . 1 1 82 82 ARG H H 1 7.03 . . 1 . . . . . . . . 294 1 541 . 1 1 82 82 ARG HA H 1 4.11 . . 1 . . . . . . . . 294 1 542 . 1 1 82 82 ARG HB2 H 1 1.65 . . 1 . . . . . . . . 294 1 543 . 1 1 82 82 ARG HB3 H 1 1.65 . . 1 . . . . . . . . 294 1 544 . 1 1 82 82 ARG HG2 H 1 1.63 . . 1 . . . . . . . . 294 1 545 . 1 1 82 82 ARG HG3 H 1 1.63 . . 1 . . . . . . . . 294 1 546 . 1 1 82 82 ARG HD2 H 1 2.81 . . 1 . . . . . . . . 294 1 547 . 1 1 82 82 ARG HD3 H 1 2.81 . . 1 . . . . . . . . 294 1 stop_ save_